ergo
output.h File Reference

Functionality for writing output messages to a text file. More...

#include <stdarg.h>

Go to the source code of this file.

Macros

#define LOG_CAT_UNDEFINED   0
 
#define LOG_CAT_ERROR   1
 
#define LOG_CAT_WARNING   2
 
#define LOG_CAT_INFO   3
 
#define LOG_CAT_EXTRAINFO   4
 
#define LOG_CAT_RESULTS   5
 
#define LOG_CAT_TIMINGS   6
 
#define LOG_CAT_MEMUSAGE   7
 
#define LOG_AREA_UNDEFINED   0
 
#define LOG_AREA_MAIN   1
 
#define LOG_AREA_SCF   2
 
#define LOG_AREA_LR   3
 
#define LOG_AREA_INTEGRALS   4
 
#define LOG_AREA_DENSFROMF   5
 
#define LOG_AREA_DFT   6
 
#define LOG_AREA_LOWLEVEL   7
 
#define LOG_AREA_CI   8
 
#define LOG_AREA_ED   9
 
#define LOG_AREA_GS   10
 

Functions

void do_output (int logCategory, int logArea, const char *format,...)
 
int do_voutput (int logCategory, int logArea, const char *format, va_list v)
 
int do_voutput_printf (int logCategory, int logArea, const char *format, va_list a)
 
void do_output_time (int logCategory, int logArea, const char *s)
 
void output_current_memory_usage (int logArea, const char *contextString)
 
void enable_memory_usage_output (void)
 
void enable_output ()
 
void enable_printf_output ()
 

Detailed Description

Functionality for writing output messages to a text file.

Author
: Elias Rudberg responsible

Macro Definition Documentation

◆ LOG_AREA_CI

#define LOG_AREA_CI   8

◆ LOG_AREA_DENSFROMF

#define LOG_AREA_DENSFROMF   5

◆ LOG_AREA_DFT

#define LOG_AREA_DFT   6

◆ LOG_AREA_ED

#define LOG_AREA_ED   9

◆ LOG_AREA_GS

#define LOG_AREA_GS   10

◆ LOG_AREA_INTEGRALS

#define LOG_AREA_INTEGRALS   4

◆ LOG_AREA_LOWLEVEL

#define LOG_AREA_LOWLEVEL   7

◆ LOG_AREA_LR

#define LOG_AREA_LR   3

◆ LOG_AREA_MAIN

#define LOG_AREA_MAIN   1

◆ LOG_AREA_SCF

#define LOG_AREA_SCF   2

◆ LOG_AREA_UNDEFINED

#define LOG_AREA_UNDEFINED   0

◆ LOG_CAT_ERROR

#define LOG_CAT_ERROR   1

◆ LOG_CAT_EXTRAINFO

#define LOG_CAT_EXTRAINFO   4

◆ LOG_CAT_INFO

#define LOG_CAT_INFO   3

◆ LOG_CAT_MEMUSAGE

#define LOG_CAT_MEMUSAGE   7

◆ LOG_CAT_RESULTS

#define LOG_CAT_RESULTS   5

◆ LOG_CAT_TIMINGS

#define LOG_CAT_TIMINGS   6

◆ LOG_CAT_UNDEFINED

#define LOG_CAT_UNDEFINED   0

◆ LOG_CAT_WARNING

#define LOG_CAT_WARNING   2

Function Documentation

◆ do_output()

void do_output ( int  logCategory,
int  logArea,
const char *  format,
  ... 
)

References do_voutput(), do_voutput_printf(), and use_printf.

Referenced by add_multipole_jobs_for_2_boxes_branches_recursive(), SCF_unrestricted::add_random_disturbance_to_starting_guess(), SCF_restricted::add_to_DIIS_list(), SCF_unrestricted::add_to_DIIS_list(), Stream::addAtom(), BasisInfoStruct::addBasisfuncsForAtomList(), BasisInfoStruct::addBasisfuncsForMolecule(), DIISManagerRestricted::AddIterationToList(), DIISManagerUnrestricted::AddIterationToList(), BuildRhoTreeBranch(), check_diagonal_elements_of_overlap_matrix(), PurificationGeneral< MatrixType >::check_eigenvectors_at_the_end(), PurificationGeneral< MatrixType >::check_homo_lumo_eigenvalues(), PurificationGeneral< MatrixType >::check_new_stopping_criterion(), SCF_restricted::check_params(), PurificationGeneral< MatrixType >::check_standard_stopping_criterion(), compute_1d_gaussian_integral_recursive(), compute_2e_matrix_coulomb(), compute_2e_matrix_list_explicit(), compute_2e_matrix_simple(), SCF_restricted::compute_dipole_moment(), SCF_unrestricted::compute_dipole_moment(), PurificationGeneral< MatrixType >::compute_eigenvector(), PurificationGeneral< MatrixType >::compute_eigenvectors_without_diagonalization(), PurificationGeneral< MatrixType >::compute_eigenvectors_without_diagonalization_last_iter_proj(), PurificationGeneral< MatrixType >::compute_eigenvectors_without_diagonalization_on_F(), compute_extent_for_all_basis_funcs_1el(), compute_extent_for_all_basis_funcs_2el(), compute_FDSminusSDF_sparse(), SCF_restricted::compute_gradient_fixeddens(), compute_gradient_of_nucl_and_trDV(), compute_grid(), compute_grid_thread_func(), compute_h_core_matrix_full(), compute_h_core_matrix_simple_dense(), compute_h_core_matrix_sparse(), compute_J_and_K_integraldriven(), compute_J_by_boxes(), compute_J_by_boxes_linear(), compute_J_by_boxes_sparse(), compute_JK_single_box(), compute_K_by_boxes(), compute_K_by_boxes_dense(), compute_K_by_boxes_sparse(), compute_K_by_boxes_sparse_nosymm(), compute_multipole_moments(), compute_operator_matrix_full(), compute_operator_matrix_sparse(), compute_operator_matrix_sparse_symm(), compute_overlap_matrix_sparse(), compute_R_matrix_sparse(), PurificationGeneral< MatrixType >::compute_spectrum_bounds(), compute_T_matrix_full(), compute_T_matrix_sparse_linear(), compute_T_sparse_linear(), compute_V_and_gradient_linear(), compute_V_hierarchical(), compute_V_matrix_full(), compute_V_sparse(), compute_V_sparse_hierarchical(), PurificationGeneral< MatrixType >::compute_X(), Vxc_worker::ComputeMatrix(), convert_symm_CSR_to_HML_and_destroy_CSR(), BoxSystem::create_box_system(), create_box_system_and_reorder_distrs(), create_branches(), create_CSR_for_K(), SCF_restricted::create_eigvec_file(), SCF_unrestricted::create_eigvec_file(), SCF_restricted::create_gabedit_file(), SCF_unrestricted::create_gabedit_file(), create_joblist_exchange_for_two_boxes_recursive(), create_list_of_multipoles_for_box(), SCF_restricted::create_mtx_files_D(), SCF_unrestricted::create_mtx_files_D(), SCF_restricted::create_mtx_files_F(), SCF_unrestricted::create_mtx_files_F(), create_nuclei_mm_tree(), ddf_get_matrix_from_storage(), ddf_get_matrix_from_storage_sparse(), ddf_get_matrix_nvalues_from_storage(), ddf_get_matrix_storage_size(), ddf_get_matrix_storage_size_sparse(), ddf_load_density(), ddf_load_density_getSizes(), ddf_load_density_sparse(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_store_matrix(), ddf_store_matrix_sparse(), ddf_writeShellListAndDensityMatricesToFile(), ddf_writeShellListAndDensityMatricesToFile_sparse(), PurificationGeneral< MatrixType >::determine_iteration_for_eigenvectors(), determine_number_of_electrons_unrestricted(), dft_get_uxc(), dft_get_uxc_mt(), dft_get_xc(), dft_get_xc_mt(), dft_get_xc_worker(), dft_lin_resp_mt(), dft_lin_resp_worker(), dft_lin_respao(), SCF_restricted::disturb_dens_matrix(), SCF_restricted::disturb_dens_matrix_exact(), SCF_restricted::disturb_fock_matrix(), do_2e_integral_general(), do_CI(), do_density_images(), do_merge_sort_distrs(), do_mulliken_atomic_charges(), SCF_restricted::do_mulliken_pop_stuff(), SCF_unrestricted::do_mulliken_pop_stuff(), do_mulliken_spin_densities(), do_output_time(), do_power_method(), do_scan_and_report(), SCF_general::do_SCF_iterations(), SCF_unrestricted::do_spin_flip(), do_tdhf_dynamics(), PurificationGeneral< MatrixType >::eigenvalue_bounds_estimation(), erfc_inverse(), ergo_CSR_create(), ergo_malloc(), es_add_atom(), es_assign_num(), es_assign_str(), es_find_var(), es_get_polarisability(), es_getexc(), es_mol_read_molecule(), es_run(), Purification_sp2< MatrixType >::estimate_number_of_iterations(), Purification_sp2acc< MatrixType >::estimate_number_of_iterations(), execute_joblist_J_fmm_serial(), execute_joblist_J_fmm_shared(), execute_joblist_J_fmm_thread(), execute_joblist_J_std_serial(), execute_joblist_J_std_thread_func(), execute_joblist_J_std_threaded(), execute_joblist_K_serial(), execute_joblist_K_thread_func(), execute_joblist_K_threaded(), PurificationGeneral< MatrixType >::gen_matlab_file_eigs(), PurificationGeneral< MatrixType >::gen_matlab_file_nnz(), PurificationGeneral< MatrixType >::gen_matlab_file_norm_diff(), PurificationGeneral< MatrixType >::gen_matlab_file_threshold(), PurificationGeneral< MatrixType >::gen_matlab_file_time(), generate_multipoles_for_groups(), get_2e_matrices_and_energy_restricted_open(), get_2e_matrices_and_energy_simple_HF_sparse_unrestricted(), get_2e_matrices_and_energy_simple_sparse_unrestricted(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_simple_HF_sparse(), get_2e_matrix_and_energy_simple_sparse(), get_2e_matrix_and_energy_sparse(), SCF_restricted::get_2e_part_and_energy(), SCF_unrestricted::get_2e_part_and_energy(), get_basis_func_pair_list_1el_for_V(), get_basis_func_pair_list_2el(), get_basis_func_pair_list_simple(), BasisInfoStruct::get_basis_funcs(), get_branch_splitter_info(), get_CI_energy_and_gradient(), get_CSR_from_normalMatrix(), get_CSR_from_symmMatrix(), get_dens_from_cmo_FermiDiracDistr(), get_dens_from_cmo_zeroT(), GetDensFromFock::get_dens_from_fock(), get_dens_from_fock_full(), GetDensFromFock::get_dens_from_fock_sparse(), get_density(), get_diag_matrix_from_file(), get_dipole_moment(), get_eigs(), SCF_restricted::get_error_measure(), SCF_unrestricted::get_error_measure(), get_eucl_diff_with_adapted_accuracy(), get_eucl_norm_try_different_acc(), SCF_restricted::get_expected_values_pos_operator(), get_F_orbs(), get_FCI_Slater_dets_alpha_beta(), SCF_restricted::get_FDSminusSDF(), SCF_unrestricted::get_FDSminusSDF(), get_Fock_matrix_in_ort_basis(), BoxSystem::get_items_near_point(), get_JK_contribs_from_2_interacting_boxes(), get_joblists_J_for_two_boxes_recursive(), get_largest_eigenvalue(), ExponentList::get_list_of_available_exponents(), get_list_of_distrs_for_V(), get_list_of_labeled_distrs(), get_list_of_labeled_distrs_linear(), get_list_of_labeled_distrs_maxLimitingFactor(), get_list_of_labeled_distrs_maxLimitingFactor_linear(), get_Lowdin_orbitals(), get_maxLimitingFactor(), get_memory_usage_by_procfile(), get_multipole_pt_for_box(), SCF_restricted::get_new_density_matrix(), SCF_unrestricted::get_new_density_matrix(), get_no_of_primitives_for_density(), SCF_restricted::get_non_ort_err_mat_normalized_in_ort_basis(), get_product_distrs(), get_product_simple_primitives(), get_product_simple_prims(), get_real_solid_harmonic_poly(), SCF_unrestricted::get_S2(), get_simple_primitives(), get_simple_starting_guess_sparse(), SCF_restricted::get_starting_guess_density(), SCF_unrestricted::get_starting_guess_density(), DIISManagerUnrestricted::GetCombinedFockMatrices(), DIISManagerRestricted::GetCombinedFockMatrix(), GetDensFromFock::GetDensFromFock(), getDmatLimitMatrixCSRList(), getMatrixPermutation(), getMatrixPermutationOnlyFactor2(), Molecule::getNuclearElectricFieldEnergy(), Molecule::getNuclearRepulsionEnergyQuadratic(), getOperatorParams(), LR::SetOfEqSolver::getResidual(), LR::EigenSolver::getResidual(), BasisInfoStruct::getSimplePrimitivesAll(), XCEvaluatorRestricted::getXC(), getXC_mt(), grid_stream_generate(), hicu_grid_generate(), identify_needed_elements(), identify_needed_elements_part(), IntegralInfo::init(), PurificationGeneral< MatrixType >::initialize(), DIISManager::Initialize(), LR::VarVector::load(), load_density_and_project_full(), load_density_and_project_sparse(), main(), PurificationGeneral< MatrixType >::map_bounds_to_0_1(), multiply_matrices_general(), multiply_matrices_general_T_1(), BasisInfoStruct::normalizeShells(), organize_distributions(), output_basisinfo(), output_current_memory_usage(), SCF_restricted::output_density_images(), SCF_unrestricted::output_density_images(), SCF_restricted::output_density_images_orbital(), SCF_unrestricted::output_density_images_orbital(), output_diff_norm_values(), SCF_unrestricted::output_expected_values_pos_operator(), PurificationGeneral< MatrixType >::output_norms_and_traces(), PurificationGeneral< MatrixType >::output_separate_total_times(), output_sparsity_template(), PurificationGeneral< MatrixType >::output_time_WriteAndReadAll(), BasisInfoStruct::permuteShells(), prep_info_for_K(), SCF::MatOptions::prepare(), PurificationGeneral< MatrixType >::prepare_to_purification(), PurificationGeneral< MatrixType >::prepare_to_purification_eigenvectors(), prepareMatrixSizesAndBlocks(), Util::TimeMeter::print(), print_box(), PuriInfo::print_collected_info(), PurificationGeneral< MatrixType >::projection_method_one_puri_iter(), PurificationGeneral< MatrixType >::purification_process(), PurificationGeneral< MatrixType >::PurificationStart(), Purification_sp2< MatrixType >::purify_bounds(), Purification_sp2acc< MatrixType >::purify_bounds(), Purification_sp2< MatrixType >::purify_X(), Purification_sp2acc< MatrixType >::purify_X(), read_basisset_file(), readMoleculeFileInMolFormat(), readMoleculeFileInXyzFormat(), LR::VarVectorCollection::release(), LR::VarVectorCollection::releaseAll(), SCF_restricted::report_density_difference(), SCF_unrestricted::report_density_difference(), SCF_unrestricted::report_final_results(), report_memory_status(), Purification_sp2acc< MatrixType >::return_constant_C(), LR::VarVector::save(), SparsePattern::save(), SCF_restricted::save_final_potential(), SCF_unrestricted::save_final_potential(), save_symmetric_matrix(), Stream::saveThread(), SCF_general::SCF_general(), SCF_unrestricted::SCF_unrestricted(), PurificationGeneral< MatrixType >::set_eigenvectors_params(), PurificationGeneral< MatrixType >::set_eigenvectors_params_basic(), Purification_sp2< MatrixType >::set_init_params(), Purification_sp2acc< MatrixType >::set_init_params(), Purification_sp2acc< MatrixType >::set_poly(), PurificationGeneral< MatrixType >::set_truncation_parameters(), LR::LRSolver::setE2diag(), setup_basis_func_polys(), setup_shells_multi_basis(), setup_shells_multi_basis_getcount(), simple_lanczos::simple_lanczos_get_eigs(), simplePrimTintegral(), LR::LRSolver::solve(), solve_linear_equation_system(), solveForRHS(), sort_list_of_multipole_jobs(), sort_list_of_multipole_jobs_fixed_boxIndex(), LR::VarVector::symorth(), ErgoE2Evaluator::transform(), PurificationGeneral< MatrixType >::truncate_matrix(), SCF_restricted::update_subspace_diff(), SCF_restricted::use_diis_to_get_new_fock_matrix(), SCF_unrestricted::use_diis_to_get_new_fock_matrix(), var_get_int_template(), var_get_real_template(), variable_free(), variable_new(), SCF_unrestricted::write_density_to_file(), write_diag_elements_to_file(), write_matrix_to_file(), XCEvaluator::XCEvaluator(), xcWorker(), and Stream::~Stream().

◆ do_output_time()

void do_output_time ( int  logCategory,
int  logArea,
const char *  s 
)

◆ do_voutput()

◆ do_voutput_printf()

int do_voutput_printf ( int  logCategory,
int  logArea,
const char *  format,
va_list  a 
)

References global_output_enabled_flag.

Referenced by do_output().

◆ enable_memory_usage_output()

void enable_memory_usage_output ( void  )

◆ enable_output()

void enable_output ( )

References global_output_enabled_flag.

Referenced by main().

◆ enable_printf_output()

void enable_printf_output ( )

◆ output_current_memory_usage()